(E)-4-hydroxy-2-methylbut-3-enoic acid

C5H8O3 — CID 87832024

IUPAC(E)-4-hydroxy-2-methylbut-3-enoic acid
SMILESCC(/C=C/O)C(=O)O
InChIInChI=1S/C5H8O3/c1-4(2-3-6)5(7)8/h2-4,6H,1H3,(H,7,8)/b3-2+
InChIKeyWFMZFWXYGQDOLS-NSCUHMNNSA-N
MW116.12 g/mol
LogP0.78
Rot. Bonds2

About (E)-4-hydroxy-2-methylbut-3-enoic acid

(E)-4-hydroxy-2-methylbut-3-enoic acid (PubChem CID 87832024) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (E)-4-hydroxy-2-methylbut-3-enoic acid.

Molecular Properties

Compound Name(E)-4-hydroxy-2-methylbut-3-enoic acid
PubChem CID87832024
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(E)-4-hydroxy-2-methylbut-3-enoic acid
SMILESCC(/C=C/O)C(=O)O
InChIInChI=1S/C5H8O3/c1-4(2-3-6)5(7)8/h2-4,6H,1H3,(H,7,8)/b3-2+
InChIKeyWFMZFWXYGQDOLS-NSCUHMNNSA-N
XLogP0.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-2,5-dimethylhex-3-enedioic acid
CID 22630170
2,5-dimethylhex-3-enoic acid
CID 86132699
4-amino-2-methylbut-3-enoic acid
CID 54452883
(3E)-2-methylhexa-3,5-dienoic acid
CID 22754992
(E)-2,6-dimethyloct-3-enoic acid
CID 155168797
(E)-2-methylhex-3-enoic acid;pent-1-en-3-ol
CID 88686843
(Z)-3-methylbut-1-en-1-ol
CID 58488783
2,4-dimethylpent-3-enoic acid;hydrochloride
CID 175476530
(E,2S,6S)-6-hydroxy-2,6,7,7-tetramethyloct-3-enoic acid
CID 131871839
2-methylpropanoic acid
CID 173073412
azane;2-methylpropanoic acid;hydrate
CID 161320294
alumane;2-methylpropanoic acid
CID 173068323

Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-2-methylbut-3-enoic acid?
The IUPAC name of (E)-4-hydroxy-2-methylbut-3-enoic acid (CID 87832024) is (E)-4-hydroxy-2-methylbut-3-enoic acid.
What is the SMILES notation for (E)-4-hydroxy-2-methylbut-3-enoic acid?
The canonical SMILES for (E)-4-hydroxy-2-methylbut-3-enoic acid is CC(/C=C/O)C(=O)O.
What is the InChIKey of (E)-4-hydroxy-2-methylbut-3-enoic acid?
The InChIKey is WFMZFWXYGQDOLS-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8O3/c1-4(2-3-6)5(7)8/h2-4,6H,1H3,(H,7,8)/b3-2+.
What are the key properties of (E)-4-hydroxy-2-methylbut-3-enoic acid?
(E)-4-hydroxy-2-methylbut-3-enoic acid has a molecular weight of 116.12 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-2-methylbut-3-enoic acid is sourced from PubChem (CID 87832024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).